BDBM50110758 5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-diamine::5-(4-Benzyloxy-3-ethoxy-benzyl)-pyrimidine-2,4-diamine::CHEMBL21395

SMILES CCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccccc1

InChI Key InChIKey=QBQZTCRZECEEGK-UHFFFAOYSA-N

Data  10 KI  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50110758   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50: 1.65E+4nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum Vl/S with quadruple DHFR mutant (N51I/C59R/S108N/I164L) More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50: 1.66E+4nMAssay Description:Antiplasmodial activity IC50 against Plasmodium falciparum K1CB1 DHFR double-mutant (C59R/S10)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50: 470nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 wtDHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50: 70nMAssay Description:In vitro antimalarial activity relative to trimethoprim against Plasmodium falciparum TM4/8.2 wtDHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50: 120nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum K1CB1 double DHFR mutation (C59R/S108N) relative to trimethoprimMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50: 1.44E+4nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum Csl-2 triple DHFR mutant (C59R/S108N/I164L)/More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50: 120nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum Csl-2 triple DHFR mutant (C59R/S108N/I164L) relative to trimethoprimMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataIC50: 1.66E+4nMAssay Description:In vitro antimalarial activity against Plasmodium falciparum K1CB1 double DHFR mutant (C59R/S108N)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  0.800nMAssay Description:Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of the wild-type dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  7.10nMAssay Description:Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  9.70nMAssay Description:Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  9.70nMAssay Description:Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase type 1(Escherichia coli)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  45nMAssay Description:Inhibitory activity against Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  309nMAssay Description:Inhibitory activity against Lactobacillus casei dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  431nMAssay Description:Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
National Center For Genetic Engineering and Biotechnology At Thailand

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  570nMAssay Description:Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Chicken)
Pomona College

Curated by ChEMBL
LigandPNGBDBM50110758(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Affinity DataKi:  1.82E+4nMAssay Description:Inhibitory activity against chicken liver dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed